SCHEMBL21149352

SCHEMBL21149352

CC(C)CCC(=N)OC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
BLM P54132 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21148946 0.82 MAPT (0.31)
SCHEMBL8765419 0.72
SCHEMBL57127 0.70 ALDH1A1 (0.35)
Hydrochloric Acid SCHEMBL4521898 0.70 CA1 (0.37) CA1
SCHEMBL22201237 0.69 MEN1 (0.30)
SCHEMBL248538 0.69 CA1 (0.52) CA1BLMGABRPGABRDGABRA1
SCHEMBL9141276 0.68 CA1 (0.36) CA1
SCHEMBL20751934 0.68 CA1 (0.41) CA1GABRPGABRDGABRA1GABRB1
SCHEMBL27924564 0.68 KDM4C (0.43) CA1BLMKDM4CKDM4APHF8
SCHEMBL285223 0.68 GABRP (0.62) CA1GABRPGABRDGABRA1GABRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019135600-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME 기초과학연구원 2019-07-11 WO disclosed